SCHEMBL10729338

SCHEMBL10729338

CCOC(=O)[C@H](C(=O)[C@H](C)N[C@@H](CCc1ccccc1)C(=O)OCC)N1CCCC1

nearest known ligand 0.60

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ACE P12821 12/20 0.60
LMNA P02545 2/20 0.60
SMN1; SMN2 Q16637 1/20 0.55
MEN1 O00255 2/20 0.54
KMT2A Q03164 2/20 0.54
USP2 O75604 1/20 0.54
CYP3A4 P08684 1/20 0.54
ALOX15 P16050 1/20 0.54
ABCB11 O95342 2/20 0.53
PDE3A Q14432 1/20 0.49
REN P00797 1/20 0.48

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL10730405 0.95 ACE (0.59) ACELMNASMN1; SMN2MEN1KMT2A
SCHEMBL10730286 0.94 ACE (0.58) ACELMNASMN1; SMN2MEN1KMT2A
SCHEMBL10724415 0.86 ACE (0.57) ACELMNASMN1; SMN2MEN1KMT2A
SCHEMBL10726884 0.85 ACE (0.56) ACELMNASMN1; SMN2MEN1KMT2A
SCHEMBL10724212 0.84 ACE (0.57) ACE
SCHEMBL19645413 0.83 ACE (0.69) ACELMNASMN1; SMN2MEN1KMT2A
SCHEMBL4671537 0.81 ACE (0.61) ACELMNASMN1; SMN2MEN1KMT2A
SCHEMBL4671532 0.81 ACE (0.61) ACELMNASMN1; SMN2MEN1KMT2A
SCHEMBL1221172 0.80 ACE (0.60) ACELMNASMN1; SMN2MEN1KMT2A
SCHEMBL4669890 0.80 ACE (0.60) ACELMNASMN1; SMN2MEN1KMT2A

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4634716-A ANGIOTENSIN CONVERTING ENZYME INHIBITORS MERCK & CO., INC. (US) 1987-01-06 US disclosed